ArticleJournal of chemical information and modeling2025
A Benchmark Set of Bioactive Molecules for Diversity Analysis of Compound Libraries and Combinatorial Chemical Spaces.
Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
4 citing papers in PubMed.
- Strategies for Identifying Molecules of Interest in Large Chemical Spaces.Journal of chemical information and modeling · 2026Article
- Discovery of a Novel Non-MET-Mediated Otoprotective Compound Against Aminoglycoside-Induced Ototoxicity.bioRxiv : the preprint server for biology · 2026Article
- Constructing and characterizing trillion-scale combinatorial chemical library.Journal of cheminformatics · 2026Article
- SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory.Scientific data · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Sources for commercially available compounds have been experiencing continuous growth for several years, reaching their peak in billion- to trillion-sized combinatorial Chemical Spaces. To assess the quality of a compound collection to provide relevant chemistry, a benchmark set of pharmaceutically relevant structures is required that enables an unbiased comparison. For this purpose, the ChEMBL database was mined for molecules displaying biological activity, and three benchmark sets of successive orders of magnitude were created by systematic filtering and processing: Set
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.